DIO

1,4-DIETHYLENE DIOXIDE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count14
Aromatic Bond Count0
2D diagram of DIO
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Chemical Component Summary

Name1,4-DIETHYLENE DIOXIDE
Systematic Name (OpenEye OEToolkits)1,4-dioxane
FormulaC4 H8 O2
Molecular Weight88.105
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O1CCOCC1
SMILESCACTVS3.341C1COCCO1
SMILESOpenEye OEToolkits1.5.0C1COCCO1
Canonical SMILESCACTVS3.341 C1COCCO1
Canonical SMILESOpenEye OEToolkits1.5.0 C1COCCO1
InChIInChI1.03 InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKeyInChI1.03 RYHBNJHYFVUHQT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03316 
Name1,4-Dioxane
Groups experimental
Synonyms
  • tetrahydro-1,4-dioxin
  • 1,4-Dioxan
  • tetrahydro-para-dioxin
  • tetrahydro-p-dioxin
  • di(ethylene oxide)
CAS number123-91-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Subtilisin CarlsbergMMRKKSFWLGMLTAFMLVFTMAFSDSASAAQPAKNVEKDYIVGFKSGVKT...unknown
Tumor necrosis factor ligand superfamily member 13BMDDSTEREQSRLTSCLKKREEMKLKECVSILPRKESPSVRSSKDGKLLAA...unknown
Epsin-1MSTSSLRRQMKNIVHNYSEAEIKVREATSNDPWGPSSSLMSEIADLTYNV...unknown
Structural polyproteinMNRGFFNMLGRRPFPAPTAMWRPRRRRQAAPMPARNGLASQIQQLTTAVS...unknown
Transforming growth factor beta-3MKMHLQRALVVLALLNFATVSLSLSTCTTLDFGHIKKKRVEAIRGQILSK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 31275
ChEMBL CHEMBL453716
ChEBI CHEBI:47032
CCDC/CSD AWUCEC, AYOHIH, AWOLEF, BAPCIH, AMULOK, ANIGAH, ASATOD, BEWJAR, AHOGAI, BINLIW, ABECAO, ARAWEW, AJUMOI, AVATOG, BINMIU, BAVYAY, AKELOT, AXIPBT, BAVYEC, BAFMUS, BAFNAZ, BEPJUD, ANZHDX, BEZYIO, BEZYIO10, AYAPIA, AMFURB, ANURAD, ANTXOU, ACIDIZ, BASLUE, BEVTII, BEQGEK, ANILER01, ABUDAG, AYAROK, APIZAD
COD 2007920, 7207491, 7200842